5-(1,3-benzoxazol-4-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H16FN7O2 — CID 137449490

IUPAC5-(1,3-benzoxazol-4-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc3ocnc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C18H16FN7O2/c1-20-15-6-14(23-11-3-2-4-13-16(11)21-8-28-13)25-17-9(7-22-26(15)17)18(27)24-12-5-10(12)19/h2-4,6-8,10,12,20H,5H2,1H3,(H,23,25)(H,24,27)/t10-,12+/m1/s1
InChIKeyHTAXQXRLZGCIDT-PWSUYJOCSA-N
MW381.37 g/mol
LogP2.50
Rot. Bonds5

About 5-(1,3-benzoxazol-4-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(1,3-benzoxazol-4-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449490) has the molecular formula C18H16FN7O2 and a molecular weight of 381.37 g/mol. Its IUPAC name is 5-(1,3-benzoxazol-4-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzoxazol-4-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449490
Molecular FormulaC18H16FN7O2
Molecular Weight381.37 g/mol
Exact Mass381.13
IUPAC Name5-(1,3-benzoxazol-4-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc3ocnc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
InChIInChI=1S/C18H16FN7O2/c1-20-15-6-14(23-11-3-2-4-13-16(11)21-8-28-13)25-17-9(7-22-26(15)17)18(27)24-12-5-10(12)19/h2-4,6-8,10,12,20H,5H2,1H3,(H,23,25)(H,24,27)/t10-,12+/m1/s1
InChIKeyHTAXQXRLZGCIDT-PWSUYJOCSA-N
XLogP2.50
TPSA109.38 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-(1,3-benzoxazol-4-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzoxazol-4-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(1,3-benzoxazol-4-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449490) is 5-(1,3-benzoxazol-4-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzoxazol-4-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(1,3-benzoxazol-4-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccc3ocnc23)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.
What is the InChIKey of 5-(1,3-benzoxazol-4-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HTAXQXRLZGCIDT-PWSUYJOCSA-N. The full InChI is InChI=1S/C18H16FN7O2/c1-20-15-6-14(23-11-3-2-4-13-16(11)21-8-28-13)25-17-9(7-22-26(15)17)18(27)24-12-5-10(12)19/h2-4,6-8,10,12,20H,5H2,1H3,(H,23,25)(H,24,27)/t10-,12+/m1/s1.
What are the key properties of 5-(1,3-benzoxazol-4-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(1,3-benzoxazol-4-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 381.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzoxazol-4-ylamino)-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).